SCHEMBL10087458

SCHEMBL10087458

COCOc1cccc(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN1 P18031 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.36
AR P10275 2/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2728977 0.83 NPC1 (0.49) NPC1RAB9ACYP1A2CYP2C19KMT2A
SCHEMBL16951877 0.82 CYP1A2 (0.43) NPC1RAB9ACYP1A2CYP2C19KMT2A
SCHEMBL31437530 0.81 RAB9A (0.46) NPC1RAB9APTPN1KMT2AMAPT
SCHEMBL30052305 0.81 NPC1 (0.46) NPC1RAB9APTPN1ARMAPT
SCHEMBL8436454 0.81 NPC1 (0.46) NPC1RAB9APTPN1ARMAPT
SCHEMBL16962066 0.79 CYP1A2 (0.41) NPC1RAB9ACYP1A2CYP2C19KMT2A
SCHEMBL29224068 0.79 RAB9A (0.43) NPC1RAB9APTPN1KMT2AMAPT
SCHEMBL1779745 0.78 IKBKB (0.40) NPC1RAB9ACYP1A2CYP2C19TSHR
SCHEMBL20607904 0.77 GAA (0.37) NPC1RAB9APTPN1CYP1A2CYP2C19
SCHEMBL21736886 0.76 SSTR4 (0.41) NPC1RAB9APTPN1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216727-B2 Aromatic hydrocarbon based proton exchange membrane and direct methanol fuel cell using same TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-07-10 US disclosed
US-20120052411-A9 AROMATIC HYDROCARBON BASED PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2012-03-01 US disclosed
US-20080063917-A1 Electrolyte Membrane-Electrode Assembly, Fuel Cell Using The Same, And Method For Producing Electrolyte Membrane-Electrode Assembly TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-03-13 US disclosed
US-20070207361-A1 AROMATIC HYDROCARBON BASED PROTON EXCHANGE MEMBRANE AND DIRECT METHANOL FUEL CELL USING SAME TOYO BOSEKI KABUSHIKI KAISHA (JP) 2007-09-06 US disclosed